SCHEMBL24312103

SCHEMBL24312103

Cn1c(=O)c(I)cc2ccncc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.44
MAPT P10636 12/20 0.42
GABRA5 P31644 1/20 0.38
DAO P14920 1/20 0.37
NAMPT P43490 1/20 0.36
TOP2A P11388 1/20 0.36
QRFPR Q96P65 1/20 0.36
CYP19A1 P11511 1/20 0.35
KCNH2 Q12809 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21957013 0.87 HASPIN (0.44) HASPINMAPTGABRA5DAO
SCHEMBL22502909 0.79 MAPT (0.46) HASPINMAPTTOP2ACYP19A1KCNH2
SCHEMBL24312244 0.79 MAPT (0.41) MAPTGABRA5DAONAMPTTOP2A
SCHEMBL22016213 0.78 MAPT (0.40) HASPINMAPTGABRA5DAONAMPT
SCHEMBL21955107 0.75 DAO (0.62) MAPTDAO
SCHEMBL31039545 0.75 DAO (0.62) MAPTDAO
SCHEMBL35211579 0.75 KDM4E (0.48) HASPINMAPTDAONAMPTTOP2A
SCHEMBL10151406 0.73 MAPT (0.47) HASPINMAPTNAMPTTOP2ACYP19A1
SCHEMBL22016175 0.73 AAK1 (0.38) MAPTGABRA5NAMPTTOP2AQRFPR
SCHEMBL8268970 0.72 BRPF1 (0.55) MAPTCYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B HASPIN 2648/4885MAPT 2929/4885GABRA5 1702/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.